Cas no 10521-52-5 (9H-Purine-9-ethanol,6-amino-a-ethyl-)
10521-52-5 structure
Product Name:9H-Purine-9-ethanol,6-amino-a-ethyl-
CAS No:10521-52-5
MF:C9H13N5O
MW:207.232420682907
CID:232905
PubChem ID:338599
Update Time:2025-04-19
9H-Purine-9-ethanol,6-amino-a-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine-9-ethanol,6-amino-a-ethyl-
- 1-(6-aminopurin-9-yl)butan-2-ol
- 1-(6-amino-purin-9-yl)-butan-2-ol
- 6-Amino-9-(2-hydroxybutyl)-purin
- 9-(2-hydroxybutyl)adenine
- AC1L7O66
- NSC361754
- 10521-52-5
- SCHEMBL13394189
- DTXSID00320598
- NSC-361754
-
- Inchi： 1S/C9H13N5O/c1-2-6(15)3-14-5-13-7-8(10)11-4-12-9(7)14/h4-6,15H,2-3H2,1H3,(H2,10,11,12)
- InChI Key： XHGGCEWELHECNF-UHFFFAOYSA-N
- SMILES： OC(CC)CN1C=NC2=C(N)N=CN=C12
Computed Properties
- Exact Mass: 207.11219
- Monoisotopic Mass: 207.112
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 215
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.1
- Topological Polar Surface Area: 89.8?2
Experimental Properties
- Density: 1.49
- Boiling Point: 458.3°Cat760mmHg
- Flash Point: 231°C
- Refractive Index: 1.717
- PSA: 89.85
- LogP: 0.76060
9H-Purine-9-ethanol,6-amino-a-ethyl- Related Literature
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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